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The Role of Cluster Size and Topology on the Ripening of Defect Aggregates in Crystalline Si

Published online by Cambridge University Press:  10 February 2011

Antonino La Magna ,
Salvatore Coffa  and
Luciano Colombo
Antonino La Magna
Affiliation:
CNR-MEffTEM, Stradale Primosole 50, 1-95121 Catania, Italy
Salvatore Coffa
Affiliation:
CNR-MEffTEM, Stradale Primosole 50, 1-95121 Catania, Italy
Luciano Colombo
Affiliation:
Dipartimento di Scienza dei Materiali, INFM and Università degli Studi di Milanovia Emanueli 15, 1-20126 Milano, Italy
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Abstract

We present an ‘on lattice’ Monte Carlo study of defect clustering in a Si matrix. The simulations are based on local interaction models, which allows us to reliably include the energetics of defects obtained by tight binding molecular dynamic calculations. In particular the dependence of cluster stability and reactivity on cluster size and geometrical configuration is considered. Proper accelerated algorithms have been implemented in order to extend simulations to macroscopic time scales. Our simulations show that the stability of specific cluster configurations strongly affects the kinetic evolution of the defect ensemble.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 538: Symposium J – Multiscale Modelling of Materials , 1998 , 241
Copyright
Copyright © Materials Research Society 1999

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References

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